CID 12304104

Beta-costol

Structural Information

Molecular Formula
C15H24O
SMILES
CC12CCCC(=C)C1CC(CC2)C(=C)CO
InChI
InChI=1S/C15H24O/c1-11-5-4-7-15(3)8-6-13(9-14(11)15)12(2)10-16/h13-14,16H,1-2,4-10H2,3H3
InChIKey
FKWGZOFNSIESOX-UHFFFAOYSA-N
Compound name
2-(4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

57
Patents

220.18271 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 155.6
[M+Na]+ 243.17193 165.4
[M+NH4]+ 238.21653 165.9
[M+K]+ 259.14587 156.4
[M-H]- 219.17543 157.5
[M+Na-2H]- 241.15738 159.3
[M]+ 220.18216 157.5
[M]- 220.18326 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe